SCHEMBL19066401

SCHEMBL19066401

C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCCC

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.84
THRB P10828 1/20 0.61
ALDH1A1 P00352 3/20 0.60
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.50
HCAR2 Q8TDS4 1/20 0.44
NAAA Q02083 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14893 1.00 TSHR (0.84) TSHRTHRBALDH1A1HPGDTDP1
SCHEMBL11583525 1.00 TSHR (0.84) TSHRTHRBALDH1A1HPGDTDP1
SCHEMBL31757151 0.98 TSHR (0.81) TSHRTHRBALDH1A1HPGDTDP1
Methyl Alcohol SCHEMBL3868398 0.98 TSHR (0.81) TSHRTHRBALDH1A1HPGDTDP1
SCHEMBL28390875 0.98 TSHR (0.81) TSHRTHRBALDH1A1HPGDTDP1
SCHEMBL7090691 0.98 TSHR (0.81) TSHRTHRBALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL15845918 0.98 TSHR (0.81) TSHRTHRBALDH1A1HPGDTDP1
SCHEMBL4019138 0.98 TSHR (0.81) TSHRTHRBALDH1A1HPGDTDP1
Ethylene SCHEMBL678650 0.98 TSHR (0.81) TSHRTHRBALDH1A1HPGDTDP1
SCHEMBL29183455 0.98 TSHR (0.81) TSHRTHRBALDH1A1HPGDTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105658342-A Ice release coatings 弗吉尼亚联邦大学 2016-06-08 CN claimed
EP-3397705-B1 WATER-BASED BARRIER COATINGS KEMIRA OYJ (FI) 2023-09-13 EP disclosed
US-11118079-B2 Water-based barrier coatings KEMIRA OYJ (FI) 2021-09-14 US disclosed
US-10907307-B2 Cationic surface sizing agent KEMIRA OYJ (FI) 2021-02-02 US disclosed
EP-3397810-B1 CATIONIC SURFACE SIZING AGENT KEMIRA OYJ (FI) 2020-07-29 EP disclosed
US-20190003124-A1 CATIONIC SURFACE SIZING AGENT KEMIRA OYJ (FI) 2019-01-03 US disclosed
US-20180355204-A1 WATER-BASED BARRIER COATINGS KEMIRA OYJ (FI) 2018-12-13 US disclosed
EP-3397810-A1 CATIONIC SURFACE SIZING AGENT Kemira OYJ (FI) 2018-11-07 EP disclosed
WO-2017115012-A1 CATIONIC SURFACE SIZING AGENT KEMIRA OYJ (FI) 2017-07-06 WO disclosed
CN-101314653-B Elastomers containing surface metalated siliceous fillers GOODYEAR TIRE & RUBBER 2012-06-27 CN disclosed
CN-101314653-A Elastomers containing surface metalated siliceous fillers GOODYEAR TIRE & RUBBER (US) 2008-12-03 CN disclosed
CN-1321102-C Process for producing methacrylic ester MITSUBISHI RAYON CO (JP) 2007-06-13 CN disclosed
CN-1747924-A Process for producing methacrylic ester MITSUBISHI RAYON CO (JP) 2006-03-15 CN disclosed